Spin susceptibility calculation based on the QP self-consistent GW method

Recently we have developed the quasi-particle self-consistent $GW$ method (QPsc$GW$) based on the full-potential LMTO method. The method is designed to determine the best independent-particle picture. The most significant impact is that QPsc$GW$ covers rather wide-range of materials, including semiconductor and transition metal oxides with acceptable accuracy [1,2]. In contrast to LDA$+U$, QPsc$GW$ can provide reasonable description of the $d$ band position relative to the $sp$ band without any free parameters. The $d$ band position critically affects the exchange coupling between magnetic ions. We are now developing the method to calculate the dynamic spin susceptibility based on the QPsc$GW$ method. We will show results for elemental transition metals and zincblende(ZB)-type of materials including magnetic ions. We have found that the ferromagnetic phase of ZB-MnAs is stable, contrary to the LDA result. In addition, we will show analysis of the exchange-coupling between magnetic ions. [1] Mark van Schilfgaarde, Takao Kotani, and Sergey V. Faleev, cond-mat/0510408 [2] Sergey V. Faleev, Mark van Schilfgaarde, and Takao Kotani, PRL93, 126406 (2004)